CID 505822

Schembl9233005

Structural Information

Molecular Formula
C18H14ClN3O3
SMILES
CN(CCO)C1=CC2=C(C=C1)C(=O)N3C4=C(C=C(C=C4)Cl)C(=O)C3=N2
InChI
InChI=1S/C18H14ClN3O3/c1-21(6-7-23)11-3-4-12-14(9-11)20-17-16(24)13-8-10(19)2-5-15(13)22(17)18(12)25/h2-5,8-9,23H,6-7H2,1H3
InChIKey
VXQAWJFWUHLEFX-UHFFFAOYSA-N
Compound name
8-chloro-3-[2-hydroxyethyl(methyl)amino]indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

355.07236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07964 180.0
[M+Na]+ 378.06158 192.3
[M-H]- 354.06508 184.8
[M+NH4]+ 373.10618 196.2
[M+K]+ 394.03552 185.9
[M+H-H2O]+ 338.06962 172.3
[M+HCOO]- 400.07056 195.0
[M+CH3COO]- 414.08621 191.5
[M+Na-2H]- 376.04703 184.4
[M]+ 355.07181 187.2
[M]- 355.07291 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.